S-(2,3,3-trimethylpentan-2-yl)thiohydroxylamine

C8H19NS — CID 138709801

IUPACS-(2,3,3-trimethylpentan-2-yl)thiohydroxylamine
SMILESCCC(C)(C)C(C)(C)SN
InChIInChI=1S/C8H19NS/c1-6-7(2,3)8(4,5)10-9/h6,9H2,1-5H3
InChIKeyMRMORNDKXFOYCQ-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.81
Rot. Bonds3

About S-(2,3,3-trimethylpentan-2-yl)thiohydroxylamine

S-(2,3,3-trimethylpentan-2-yl)thiohydroxylamine (PubChem CID 138709801) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is S-(2,3,3-trimethylpentan-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(2,3,3-trimethylpentan-2-yl)thiohydroxylamine
PubChem CID138709801
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameS-(2,3,3-trimethylpentan-2-yl)thiohydroxylamine
SMILESCCC(C)(C)C(C)(C)SN
InChIInChI=1S/C8H19NS/c1-6-7(2,3)8(4,5)10-9/h6,9H2,1-5H3
InChIKeyMRMORNDKXFOYCQ-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of S-(2,3,3-trimethylpentan-2-yl)thiohydroxylamine?
The IUPAC name of S-(2,3,3-trimethylpentan-2-yl)thiohydroxylamine (CID 138709801) is S-(2,3,3-trimethylpentan-2-yl)thiohydroxylamine.
What is the SMILES notation for S-(2,3,3-trimethylpentan-2-yl)thiohydroxylamine?
The canonical SMILES for S-(2,3,3-trimethylpentan-2-yl)thiohydroxylamine is CCC(C)(C)C(C)(C)SN.
What is the InChIKey of S-(2,3,3-trimethylpentan-2-yl)thiohydroxylamine?
The InChIKey is MRMORNDKXFOYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-6-7(2,3)8(4,5)10-9/h6,9H2,1-5H3.
What are the key properties of S-(2,3,3-trimethylpentan-2-yl)thiohydroxylamine?
S-(2,3,3-trimethylpentan-2-yl)thiohydroxylamine has a molecular weight of 161.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2,3,3-trimethylpentan-2-yl)thiohydroxylamine is sourced from PubChem (CID 138709801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).